Home Boronic acids 2-(Dimethylamino)benzeneboronic acid, HCl

2-(Dimethylamino)benzeneboronic acid, HCl

CAS No.:
1315335-14-8
Catalog Number:
AG009YMB
Molecular Formula:
C8H13BClNO2
Molecular Weight:
201.4583
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Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$358
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Product Description
Catalog Number:
AG009YMB
Chemical Name:
2-(Dimethylamino)benzeneboronic acid, HCl
CAS Number:
1315335-14-8
Molecular Formula:
C8H13BClNO2
Molecular Weight:
201.4583
MDL Number:
MFCD13193902
IUPAC Name:
[2-(dimethylamino)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C8H12BNO2.ClH/c1-10(2)8-6-4-3-5-7(8)9(11)12;/h3-6,11-12H,1-2H3;1H
InChI Key:
QSGXTHOTZGCZSJ-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1B(O)O)C.Cl
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.073g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
201.457g/mol
Monoisotopic Mass:
201.073g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties